Thromboxane A2

HCID 5280497

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 57576-52-0
표준 SMILES: CCCCC[C@H](O)/C=C/[C@H]1O[C@H]2C[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O
InChIKey: DSNBHJFQCNUKMA-SCKDECHMSA-N
분자식: C20H32O5
평균 분자량: 352.5 g/mol
단동위원소 질량: 352.22497412

이름 및 식별자

우선 이름: Thromboxane A2
IUPAC: (Z)-7-[(1S,3R,4S,5S)-3-[(E,3S)-3-hydroxyoct-1-enyl]-2,6-dioxabicyclo[3.1.1]heptan-4-yl]hept-5-enoic acid
영어명: 7-[3-(3-hydroxyoct-1-enyl)-4,6-dioxabicyclo[3.1.1]hept-2-yl]hept-5-enoic acid
분자식: C20H32O5
분자량: 352.47

이름 및 동의어

thromboxane A2TXA257576-52-0TXA-24C2A5G825SDTXSID2013174529S,11S-epoxy,15S-hydroxy-thromboxa-5Z,13E-dien-1-oic acidThromboxa-5,13-dien-1-oic acid, 9,11-epoxy-15-hydroxy-, (5Z,9alpha,11alpha,13E,15S)-(Z)-7-[(1S,3R,4S,5S)-3-[(E,3S)-3-hydroxyoct-1-enyl]-2,6-dioxabicyclo[3.1.1]heptan-4-yl]hept-5-enoic acidCHEBI:15627(5Z,13E)-(15S)-9alpha,11alpha-Epoxy-15-hydroxythromboxa-5,13-dienoate(5Z,13E,15S)-9alpha,11alpha-epoxy-15-hydroxythromboxa-5,13-dien-1-oic acid

이름 더 보기

Thromboxane A2,Thromboxane A-2Rabbit aorta contracting substance(5Z,13E,15S)-9α,11α-Epoxy-15-hydroxythromboxa-5,13-dien-1-oic acid7-[3-(3-hydroxyoct-1-enyl)-4,6-dioxabicyclo[3.1.1]hept-2-yl]hept-5-enoic acid(Z)-7-[(1S,2S,3R,5S)-3-[(E,3S)-3-hydroxyoct-1-enyl]-4,6-dioxabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid5-Heptenoic acid, 7-[(1S,3R,4S,5S)-3-[(1E,3S)-3-hydroxy-1-octen-1-yl]-2,6-dioxabicyclo[3.1.1]hept-4-yl]-, (5Z)-

(5Z,9alpha,11alpha,13E,15S)-9,11-Epoxy-15-hydroxythromboxa-5,13-dien-1-oic acid5-Heptenoic acid, 7-(3-(3-hydroxy-1-octenyl)-2,6-dioxabicyclo(3.1.1)hept-4-yl)-, (1S-(1alpha,3alpha,3R*),4beta(Z),5alpha)-A2, Thromboxane(Z)-7-((1S,2S,3R,5S)-3-((E,3S)-3-hydroxyoct-1-enyl)-4,7-dioxabicyclo(3.1.1)heptan-2-yl)hept-5-enoic acid(Z)-7-((1S,3R,4S,5S)-3-((E,3S)-3-hydroxyoct-1-enyl)-2,6-dioxabicyclo(3.1.1)heptan-4-yl)hept-5-enoic acid(Z)-7-[(1S,2S,3R,5S)-3-[(E,3S)-3-hydroxyoct-1-enyl]-4,7-dioxabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acidRefChem:189793DTXCID901747264

데이터베이스 식별자

CAS: 57576-52-0
PubChem CID: 5280497
DTXSID: DTXSID201317452
ChEMBL: CHEMBL5283529
ChEBI: CHEBI:15627
UNII: 4C2A5G825S
Nikkaji: J40.890E

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 76 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 12
무거운 원자 수: 25
형식 전하: 0
복잡도: 459

실험 및 물리화학적 성질

Physical DescriptionSolid

화학 및 산업

약리 정보

Tissue LocationsPlatelet；Smooth Muscle

Cellular LocationsCytoplasm；Endoplasmic reticulum；Extracellular；Membrane

Metabolite Pathways · 1건

Acetaminophen Action Pathway；Acetylsalicylic Acid Action Pathway；Antipyrine Action Pathway；Antrafenine Action Pathway；Arachidonic Acid Metabolism；Bromfenac Action Pathway；Carprofen Action Pathway；Celecoxib Action Pathway；Diclofenac Action Pathway；Diflunisal Action Pathway；Total 41 pathways, visit the HMDB page for details

공급사8 곳

上海钰博生物科技有限公司021-60514606 18321282235 · [email protected]

上海心语生物科技有限公司13301728348 · [email protected]

上海陶术生物科技股份有限公司13564774135 · [email protected]

深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]

常州翔龙医药科技有限公司18661161657 · [email protected]

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